methyl (E)-2-ethanoyl-2-phenylsulfanyl-pent-3-enoate

Systemtic Name: methyl (E)-2-ethanoyl-2-phenylsulfanyl-pent-3-enoate Openeye Name: methyl (E)-2-acetyl-2-phenylsulfanyl-pent-3-enoate CAS Name: (E)-2-acetyl-2-(phenylthio)-3-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-acetyl-2-phenylsulfanylpent-3-enoate Traditional Name: (E)-2-acetyl-2-(phenylthio)pent-3-enoic acid methyl ester Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(=O)C)(C(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

C/C=C/C(C(=O)C)(C(=O)OC)SC1=CC=CC=C1

InChI

InChI=1S/C14H16O3S/c1-4-10-14(11(2)15,13(16)17-3)18-12-8-6-5-7-9-12/h4-10H,1-3H3/b10-4+